# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Feilong Jiang'
_publ_contact_author_email       FJIANG@FJIRSM.AC.CN

_publ_section_title              
;
1D Infinite Silver(I) Chains Reside in the Big
Cavities of Novel Koilands Based on p-Sulfonatocalix[4]arene-Trisilver
Blocks
;
loop_
_publ_author_name
'Feilong Jiang'
'Mao-Chun Hong'
'Wei Wei'
'Mingyan Wu'
'Kecai Xiong'
;
Ming Yang
;
'Qingfu Zhang'

# Attachment 'complex_1.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 708142'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C176 H176 Ag8 N24 O52 S8'
_chemical_formula_weight         4578.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.323(2)
_cell_length_b                   14.516(2)
_cell_length_c                   22.911(3)
_cell_angle_alpha                76.552(4)
_cell_angle_beta                 79.765(4)
_cell_angle_gamma                89.185(5)
_cell_volume                     4557.3(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    11920
_cell_measurement_theta_min      3.0461
_cell_measurement_theta_max      27.4797

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2320
_exptl_absorpt_coefficient_mu    1.023
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8215
_exptl_absorpt_correction_T_max  0.8616
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Saturn70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35382
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.01
_diffrn_reflns_theta_max         27.49
_reflns_number_total             20510
_reflns_number_gt                17705
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1200P)^2^+19.2297P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         20510
_refine_ls_number_parameters     1229
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_ref         0.2094
_refine_ls_wR_factor_gt          0.1932
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.0000 0.5000 0.02081(14) Uani 1 2 d S . .
S1 S 0.26023(10) 0.06892(9) 0.74272(6) 0.0182(3) Uani 1 1 d . . .
O1 O 0.1363(3) 0.3559(3) 0.54622(18) 0.0224(8) Uani 1 1 d . . .
N1 N 0.3952(3) -0.1128(3) 0.5131(2) 0.0184(9) Uani 1 1 d . . .
C1 C 0.1593(4) 0.2921(4) 0.5958(2) 0.0171(10) Uani 1 1 d . . .
Ag2 Ag 0.36043(4) 0.04297(3) 0.60043(2) 0.02813(13) Uani 1 1 d . . .
S2 S 0.21342(12) 0.58715(10) 0.79274(7) 0.0257(3) Uani 1 1 d . . .
O2 O 0.1238(3) 0.5298(3) 0.56163(18) 0.0217(8) Uani 1 1 d . . .
N2 N 0.4494(3) -0.0906(3) 0.6222(2) 0.0195(9) Uani 1 1 d . . .
C2 C 0.1151(4) 0.2014(4) 0.6137(2) 0.0158(10) Uani 1 1 d . . .
Ag3 Ag -0.08479(3) 0.00385(3) 0.96261(2) 0.02342(12) Uani 1 1 d . . .
S3 S -0.30414(10) 0.58023(10) 0.78273(6) 0.0204(3) Uani 1 1 d . . .
O3 O -0.0594(3) 0.5254(3) 0.55782(17) 0.0201(8) Uani 1 1 d . . .
N3 N 0.2424(4) 0.0529(5) 0.5407(3) 0.0342(13) Uani 1 1 d . . .
C3 C 0.1438(4) 0.1365(4) 0.6613(3) 0.0192(10) Uani 1 1 d . . .
H3 H 0.1137 0.0755 0.6750 0.023 Uiso 1 1 calc R . .
Ag4 Ag -0.29312(3) -0.01933(3) 0.99727(2) 0.02119(11) Uani 1 1 d . . .
S4 S -0.28334(10) 0.05561(10) 0.72782(6) 0.0209(3) Uani 1 1 d . . .
O4 O -0.0466(3) 0.3520(3) 0.54497(18) 0.0208(8) Uani 1 1 d . . .
N4 N 0.3783(5) 0.1890(4) 0.5318(3) 0.0372(14) Uani 1 1 d . . .
C4 C 0.2159(4) 0.1590(4) 0.6895(2) 0.0177(10) Uani 1 1 d . . .
Ag5 Ag -0.5000 0.0000 1.0000 0.02334(14) Uani 1 2 d S . .
O5 O 0.2950(3) -0.0016(3) 0.70792(19) 0.0244(9) Uani 1 1 d . . .
N5 N -0.0175(4) 0.1512(4) 0.8927(2) 0.0250(10) Uani 1 1 d . . .
C5 C 0.2567(4) 0.2494(4) 0.6724(2) 0.0178(10) Uani 1 1 d . . .
H5 H 0.3051 0.2646 0.6924 0.021 Uiso 1 1 calc R . .
O6 O 0.1820(3) 0.0318(3) 0.79179(19) 0.0275(9) Uani 1 1 d . . .
N6 N -0.0912(3) 0.1142(3) 1.0160(2) 0.0189(9) Uani 1 1 d . . .
C6 C 0.2278(4) 0.3192(4) 0.6257(2) 0.0162(10) Uani 1 1 d . . .
O7 O 0.3367(3) 0.1115(3) 0.76219(19) 0.0255(9) Uani 1 1 d . . .
N7 N -0.1211(4) -0.1130(3) 0.9235(2) 0.0217(10) Uani 1 1 d . . .
C7 C 0.2727(4) 0.4193(4) 0.6083(3) 0.0190(10) Uani 1 1 d . . .
H7A H 0.3374 0.4159 0.6182 0.023 Uiso 1 1 calc R . .
H7B H 0.2787 0.4445 0.5637 0.023 Uiso 1 1 calc R . .
O8 O 0.3002(4) 0.5364(4) 0.8018(2) 0.0421(13) Uani 1 1 d . . .
N8 N -0.2170(4) -0.1437(3) 1.0481(2) 0.0213(9) Uani 1 1 d . . .
C8 C 0.2160(4) 0.4866(4) 0.6408(2) 0.0171(10) Uani 1 1 d . . .
O9 O 0.2232(6) 0.6887(4) 0.7821(3) 0.059(2) Uani 1 1 d . . .
N9 N -0.2734(4) 0.1300(3) 0.9351(2) 0.0228(10) Uani 1 1 d . . .
C9 C 0.2359(4) 0.5006(4) 0.6957(3) 0.0194(10) Uani 1 1 d . . .
H9 H 0.2849 0.4661 0.7133 0.023 Uiso 1 1 calc R . .
O10 O 0.1356(4) 0.5476(4) 0.8412(2) 0.0426(12) Uani 1 1 d . . .
N10 N -0.3519(4) 0.0895(4) 1.0586(2) 0.0237(10) Uani 1 1 d . . .
C10 C 0.1850(4) 0.5641(4) 0.7251(2) 0.0192(10) Uani 1 1 d . . .
O11 O -0.3195(4) 0.6814(3) 0.7677(2) 0.0325(10) Uani 1 1 d . . .
N11 N -0.3822(4) -0.1154(3) 0.9506(2) 0.0221(10) Uani 1 1 d . . .
C11 C 0.1111(4) 0.6134(4) 0.7009(3) 0.0193(10) Uani 1 1 d . . .
H11 H 0.0758 0.6556 0.7218 0.023 Uiso 1 1 calc R . .
O12 O -0.3909(3) 0.5231(3) 0.7923(2) 0.0266(9) Uani 1 1 d . . .
N12 N -0.4842(3) -0.1334(3) 1.0691(2) 0.0204(9) Uani 1 1 d . . .
C12 C 0.0881(4) 0.6017(4) 0.6465(3) 0.0178(10) Uani 1 1 d . . .
O13 O -0.2509(4) 0.5507(4) 0.8318(2) 0.0384(12) Uani 1 1 d . . .
C13 C 0.1423(4) 0.5386(4) 0.6171(2) 0.0154(10) Uani 1 1 d . . .
O14 O -0.3675(4) 0.0969(4) 0.7526(3) 0.0429(13) Uani 1 1 d . . .
C14 C 0.0068(4) 0.6542(4) 0.6207(3) 0.0188(10) Uani 1 1 d . . .
H14A H 0.0005 0.7157 0.6324 0.023 Uiso 1 1 calc R . .
H14B H 0.0217 0.6674 0.5756 0.023 Uiso 1 1 calc R . .
O15 O -0.2280(4) 0.0108(4) 0.7742(2) 0.0415(12) Uani 1 1 d . . .
C15 C -0.0865(4) 0.5991(4) 0.6428(3) 0.0178(10) Uani 1 1 d . . .
O16 O -0.2970(4) -0.0074(4) 0.6893(3) 0.0403(12) Uani 1 1 d . . .
C16 C -0.1455(4) 0.6087(4) 0.6957(3) 0.0208(11) Uani 1 1 d . . .
H16 H -0.1272 0.6511 0.7179 0.025 Uiso 1 1 calc R . .
O17 O 0.5013(4) 0.1750(4) 0.6748(2) 0.0388(11) Uani 1 1 d . . .
C17 C -0.2315(4) 0.5573(4) 0.7174(3) 0.0182(10) Uani 1 1 d . . .
O18 O 0.5187(5) 0.3808(5) 0.6394(3) 0.0538(15) Uani 1 1 d . . .
C18 C -0.2583(4) 0.4930(4) 0.6867(2) 0.0173(10) Uani 1 1 d . . .
H18 H -0.3161 0.4572 0.7022 0.021 Uiso 1 1 calc R . .
O19 O 0.4691(4) 0.4999(4) 0.7245(3) 0.0382(11) Uani 1 1 d . . .
C19 C -0.2003(4) 0.4804(4) 0.6327(2) 0.0171(10) Uani 1 1 d . . .
O20 O -0.1869(4) 0.8285(3) 0.6996(2) 0.0321(10) Uani 1 1 d . . .
C20 C -0.1159(4) 0.5348(4) 0.6118(2) 0.0160(10) Uani 1 1 d . . .
O21 O 0.0021(4) 0.9004(5) 0.6584(3) 0.0564(17) Uani 1 1 d . . .
C21 C -0.2290(4) 0.4085(4) 0.5998(2) 0.0177(10) Uani 1 1 d . . .
H21A H -0.2074 0.4328 0.5554 0.021 Uiso 1 1 calc R . .
H21B H -0.2991 0.4024 0.6074 0.021 Uiso 1 1 calc R . .
O22 O 0.1739(5) 0.8496(4) 0.7010(3) 0.0494(15) Uani 1 1 d . . .
C22 C -0.1886(4) 0.3110(4) 0.6193(2) 0.0150(9) Uani 1 1 d . . .
O23 O -0.0175(6) 0.5169(5) 0.9421(4) 0.068(2) Uani 1 1 d . . .
C23 C -0.2432(4) 0.2405(4) 0.6638(2) 0.0168(10) Uani 1 1 d . . .
H23 H -0.3040 0.2547 0.6834 0.020 Uiso 1 1 calc R . .
O24 O -0.2059(7) 0.4882(4) 0.9479(4) 0.074(3) Uani 1 1 d . . .
C24 C -0.2090(4) 0.1498(4) 0.6795(2) 0.0155(9) Uani 1 1 d . . .
C25 C -0.1184(4) 0.1281(4) 0.6545(2) 0.0165(10) Uani 1 1 d . . .
H25 H -0.0951 0.0665 0.6673 0.020 Uiso 1 1 calc R . .
C26 C -0.0619(4) 0.1966(4) 0.6106(2) 0.0151(9) Uani 1 1 d . . .
O26A O -0.4352(7) 0.4523(8) 1.1268(4) 0.035(3) Uani 0.493(15) 1 d P A 1
C27 C -0.0995(4) 0.2866(4) 0.5930(2) 0.0163(10) Uani 1 1 d . . .
O26B O -0.5210(10) 0.4928(10) 1.0804(5) 0.055(4) Uani 0.507(15) 1 d P A 2
C28 C 0.0373(4) 0.1737(4) 0.5824(2) 0.0172(10) Uani 1 1 d . . .
H28A H 0.0502 0.2073 0.5388 0.021 Uiso 1 1 calc R . .
H28B H 0.0398 0.1048 0.5845 0.021 Uiso 1 1 calc R . .
C29 C 0.0079(5) 0.1665(5) 0.8324(3) 0.0290(13) Uani 1 1 d . . .
H29 H 0.0299 0.1147 0.8154 0.035 Uiso 1 1 calc R . .
C30 C 0.0039(6) 0.2552(6) 0.7929(3) 0.0388(16) Uani 1 1 d . . .
H30 H 0.0224 0.2638 0.7500 0.047 Uiso 1 1 calc R . .
C31 C -0.0278(6) 0.3293(5) 0.8182(4) 0.0431(18) Uani 1 1 d . . .
H31 H -0.0322 0.3906 0.7929 0.052 Uiso 1 1 calc R . .
C32 C -0.0534(6) 0.3144(5) 0.8809(3) 0.0346(15) Uani 1 1 d . . .
H32 H -0.0753 0.3651 0.8990 0.042 Uiso 1 1 calc R . .
C33 C -0.0466(4) 0.2241(4) 0.9172(3) 0.0234(11) Uani 1 1 d . . .
C34 C -0.0714(4) 0.2046(4) 0.9850(3) 0.0207(11) Uani 1 1 d . . .
C35 C -0.0715(5) 0.2774(4) 1.0163(3) 0.0259(12) Uani 1 1 d . . .
H35 H -0.0554 0.3408 0.9944 0.031 Uiso 1 1 calc R . .
C36 C -0.0950(5) 0.2556(4) 1.0791(3) 0.0270(12) Uani 1 1 d . . .
H36 H -0.0958 0.3043 1.1006 0.032 Uiso 1 1 calc R . .
C37 C -0.1175(4) 0.1631(4) 1.1108(3) 0.0253(12) Uani 1 1 d . . .
H37 H -0.1342 0.1468 1.1540 0.030 Uiso 1 1 calc R . .
C38 C -0.1147(4) 0.0949(4) 1.0768(3) 0.0236(11) Uani 1 1 d . . .
H38 H -0.1304 0.0311 1.0980 0.028 Uiso 1 1 calc R . .
C39 C -0.0990(5) -0.0977(5) 0.8623(3) 0.0270(12) Uani 1 1 d . . .
H39 H -0.0737 -0.0374 0.8393 0.032 Uiso 1 1 calc R . .
C40 C -0.1120(5) -0.1669(6) 0.8316(3) 0.0371(16) Uani 1 1 d . . .
H40 H -0.0958 -0.1542 0.7884 0.044 Uiso 1 1 calc R . .
C41 C -0.1481(5) -0.2530(5) 0.8641(4) 0.0368(16) Uani 1 1 d . . .
H41 H -0.1571 -0.3013 0.8437 0.044 Uiso 1 1 calc R . .
C42 C -0.1720(5) -0.2708(5) 0.9274(3) 0.0306(14) Uani 1 1 d . . .
H42 H -0.1980 -0.3307 0.9507 0.037 Uiso 1 1 calc R . .
C43 C -0.1568(4) -0.1984(4) 0.9558(3) 0.0218(11) Uani 1 1 d . . .
C44 C -0.1812(4) -0.2164(4) 1.0232(3) 0.0217(11) Uani 1 1 d . . .
C45 C -0.1654(5) -0.3037(4) 1.0593(3) 0.0298(13) Uani 1 1 d . . .
H45 H -0.1407 -0.3534 1.0410 0.036 Uiso 1 1 calc R . .
C46 C -0.1858(5) -0.3184(5) 1.1228(3) 0.0357(16) Uani 1 1 d . . .
H46 H -0.1761 -0.3782 1.1483 0.043 Uiso 1 1 calc R . .
C47 C -0.2204(5) -0.2440(5) 1.1476(3) 0.0315(14) Uani 1 1 d . . .
H47 H -0.2337 -0.2511 1.1905 0.038 Uiso 1 1 calc R . .
C48 C -0.2353(5) -0.1594(4) 1.1090(3) 0.0268(12) Uani 1 1 d . . .
H48 H -0.2602 -0.1090 1.1266 0.032 Uiso 1 1 calc R . .
C49 C -0.2502(5) 0.1474(4) 0.8746(3) 0.0280(13) Uani 1 1 d . . .
H49 H -0.2265 0.0970 0.8567 0.034 Uiso 1 1 calc R . .
C50 C -0.2588(7) 0.2346(5) 0.8367(4) 0.044(2) Uani 1 1 d . . .
H50 H -0.2407 0.2443 0.7938 0.053 Uiso 1 1 calc R . .
C51 C -0.2944(7) 0.3080(5) 0.8626(4) 0.051(2) Uani 1 1 d . . .
H51 H -0.3026 0.3685 0.8375 0.061 Uiso 1 1 calc R . .
C52 C -0.3181(6) 0.2922(4) 0.9261(4) 0.0374(17) Uani 1 1 d . . .
H52 H -0.3416 0.3421 0.9446 0.045 Uiso 1 1 calc R . .
C53 C -0.3067(4) 0.2027(4) 0.9616(3) 0.0239(12) Uani 1 1 d . . .
C54 C -0.3299(4) 0.1812(4) 1.0289(3) 0.0252(12) Uani 1 1 d . . .
C55 C -0.3274(5) 0.2524(5) 1.0607(4) 0.0357(16) Uani 1 1 d . . .
H55 H -0.3119 0.3161 1.0391 0.043 Uiso 1 1 calc R . .
C56 C -0.3477(6) 0.2293(6) 1.1238(4) 0.0423(18) Uani 1 1 d . . .
H56 H -0.3462 0.2767 1.1461 0.051 Uiso 1 1 calc R . .
C57 C -0.3704(5) 0.1355(6) 1.1540(4) 0.0381(17) Uani 1 1 d . . .
H57 H -0.3848 0.1176 1.1973 0.046 Uiso 1 1 calc R . .
C58 C -0.3713(5) 0.0688(5) 1.1198(3) 0.0298(13) Uani 1 1 d . . .
H58 H -0.3866 0.0048 1.1407 0.036 Uiso 1 1 calc R . .
C59 C -0.3578(5) -0.1045(5) 0.8897(3) 0.0273(12) Uani 1 1 d . . .
H59 H -0.3294 -0.0459 0.8658 0.033 Uiso 1 1 calc R . .
C60 C -0.3723(5) -0.1745(5) 0.8606(3) 0.0318(14) Uani 1 1 d . . .
H60 H -0.3558 -0.1635 0.8175 0.038 Uiso 1 1 calc R . .
C61 C -0.4106(5) -0.2600(6) 0.8943(4) 0.0400(18) Uani 1 1 d . . .
H61 H -0.4209 -0.3093 0.8750 0.048 Uiso 1 1 calc R . .
C62 C -0.4343(5) -0.2741(5) 0.9572(4) 0.0333(15) Uani 1 1 d . . .
H62 H -0.4604 -0.3334 0.9816 0.040 Uiso 1 1 calc R . .
C63 C -0.4195(4) -0.2006(4) 0.9840(3) 0.0211(11) Uani 1 1 d . . .
C64 C -0.4454(4) -0.2094(4) 1.0503(3) 0.0207(11) Uani 1 1 d . . .
C65 C -0.4300(5) -0.2936(4) 1.0913(3) 0.0313(14) Uani 1 1 d . . .
H65 H -0.4023 -0.3457 1.0768 0.038 Uiso 1 1 calc R . .
C66 C -0.4552(5) -0.2998(5) 1.1527(3) 0.0371(16) Uani 1 1 d . . .
H66 H -0.4450 -0.3561 1.1814 0.045 Uiso 1 1 calc R . .
C67 C -0.4964(5) -0.2214(5) 1.1725(3) 0.0360(15) Uani 1 1 d . . .
H67 H -0.5150 -0.2241 1.2148 0.043 Uiso 1 1 calc R . .
C68 C -0.5093(4) -0.1405(4) 1.1295(3) 0.0246(12) Uani 1 1 d . . .
H68 H -0.5371 -0.0876 1.1430 0.030 Uiso 1 1 calc R . .
C69 C 0.1796(5) -0.0150(6) 0.5446(4) 0.0389(17) Uani 1 1 d . . .
H69 H 0.1715 -0.0659 0.5798 0.047 Uiso 1 1 calc R . .
C70 C 0.1244(6) -0.0170(8) 0.5003(4) 0.053(2) Uani 1 1 d . . .
H70 H 0.0773 -0.0652 0.5056 0.064 Uiso 1 1 calc R . .
C71 C 0.1425(8) 0.0554(9) 0.4485(4) 0.062(3) Uani 1 1 d . . .
H71 H 0.1115 0.0540 0.4153 0.074 Uiso 1 1 calc R . .
C72 C 0.2042(7) 0.1295(8) 0.4434(4) 0.055(2) Uani 1 1 d . . .
H72 H 0.2119 0.1812 0.4086 0.066 Uiso 1 1 calc R . .
C73 C 0.2559(6) 0.1280(6) 0.4905(3) 0.0397(18) Uani 1 1 d . . .
C74 C 0.3223(6) 0.2045(6) 0.4893(3) 0.0376(17) Uani 1 1 d . . .
C75 C 0.3279(7) 0.2934(7) 0.4465(4) 0.054(2) Uani 1 1 d . . .
H75 H 0.2892 0.3051 0.4161 0.065 Uiso 1 1 calc R . .
C76 C 0.3907(8) 0.3628(6) 0.4498(4) 0.057(2) Uani 1 1 d . . .
H76 H 0.3946 0.4227 0.4217 0.068 Uiso 1 1 calc R . .
C77 C 0.4458(7) 0.3466(6) 0.4922(5) 0.055(2) Uani 1 1 d . . .
H77 H 0.4894 0.3940 0.4941 0.066 Uiso 1 1 calc R . .
C78 C 0.4382(6) 0.2584(5) 0.5337(4) 0.0383(16) Uani 1 1 d . . .
H78 H 0.4766 0.2471 0.5643 0.046 Uiso 1 1 calc R . .
C79 C 0.5019(4) -0.0877(4) 0.6651(3) 0.0250(12) Uani 1 1 d . . .
H79 H 0.5201 -0.0276 0.6699 0.030 Uiso 1 1 calc R . .
C80 C 0.5306(5) -0.1686(5) 0.7026(3) 0.0307(14) Uani 1 1 d . . .
H80 H 0.5687 -0.1640 0.7318 0.037 Uiso 1 1 calc R . .
C81 C 0.5023(6) -0.2560(5) 0.6963(4) 0.0381(16) Uani 1 1 d . . .
H81 H 0.5207 -0.3126 0.7214 0.046 Uiso 1 1 calc R . .
C82 C 0.4472(5) -0.2599(4) 0.6534(3) 0.0319(14) Uani 1 1 d . . .
H82 H 0.4255 -0.3193 0.6494 0.038 Uiso 1 1 calc R . .
C83 C 0.4237(4) -0.1767(4) 0.6163(2) 0.0193(10) Uani 1 1 d . . .
C84 C 0.3713(4) -0.1782(4) 0.5656(3) 0.0208(11) Uani 1 1 d . . .
C85 C 0.3026(5) -0.2487(4) 0.5718(3) 0.0283(13) Uani 1 1 d . . .
H85 H 0.2864 -0.2952 0.6090 0.034 Uiso 1 1 calc R . .
C86 C 0.2585(5) -0.2497(5) 0.5233(3) 0.0334(15) Uani 1 1 d . . .
H86 H 0.2114 -0.2971 0.5269 0.040 Uiso 1 1 calc R . .
C87 C 0.2826(5) -0.1825(5) 0.4695(3) 0.0295(13) Uani 1 1 d . . .
H87 H 0.2531 -0.1834 0.4357 0.035 Uiso 1 1 calc R . .
C88 C 0.3502(4) -0.1142(4) 0.4657(2) 0.0244(12) Uani 1 1 d . . .
H88 H 0.3659 -0.0665 0.4290 0.029 Uiso 1 1 calc R . .
O25A O -0.3245(4) 0.5055(4) 1.0657(2) 0.044(3) Uani 0.511(16) 1 d PR B 2
O25B O -0.3592(4) 0.5038(4) 1.0049(2) 0.063(5) Uani 0.489(16) 1 d PR B 1
H20A H -0.2181 0.8821 0.6928 0.021(17) Uiso 1 1 d R . .
H17A H 0.4528 0.1559 0.7006 0.03(2) Uiso 1 1 d R . .
H17B H 0.5522 0.1535 0.6872 0.07(3) Uiso 1 1 d R . .
H20B H -0.2250 0.7830 0.7123 0.07(3) Uiso 1 1 d R . .
H2 H 0.1526 0.4815 0.5538 0.03(2) Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0218(3) 0.0183(3) 0.0204(3) -0.0032(2) -0.0001(2) -0.0068(2)
S1 0.0215(6) 0.0187(6) 0.0136(6) -0.0020(5) -0.0033(5) 0.0011(5)
O1 0.026(2) 0.0217(19) 0.0189(19) -0.0029(15) -0.0050(16) 0.0081(16)
N1 0.022(2) 0.018(2) 0.015(2) -0.0043(17) -0.0019(17) -0.0048(18)
C1 0.019(2) 0.014(2) 0.015(2) -0.0016(18) 0.0011(19) -0.0010(19)
Ag2 0.0360(3) 0.0303(2) 0.0175(2) -0.00392(17) -0.00638(18) 0.0109(2)
S2 0.0361(8) 0.0223(7) 0.0221(7) -0.0069(5) -0.0124(6) -0.0003(6)
O2 0.029(2) 0.0204(19) 0.0182(19) -0.0050(15) -0.0098(16) 0.0034(16)
N2 0.024(2) 0.016(2) 0.019(2) -0.0039(17) -0.0068(18) 0.0004(18)
C2 0.012(2) 0.017(2) 0.019(2) -0.0062(19) -0.0013(19) 0.0003(19)
Ag3 0.0265(2) 0.0177(2) 0.0284(2) -0.00821(17) -0.00728(18) -0.00164(16)
S3 0.0236(7) 0.0199(6) 0.0198(6) -0.0086(5) -0.0046(5) 0.0019(5)
O3 0.024(2) 0.0203(18) 0.0135(17) -0.0011(14) -0.0001(15) -0.0025(16)
N3 0.027(3) 0.055(4) 0.026(3) -0.018(3) -0.007(2) 0.020(3)
C3 0.021(3) 0.017(2) 0.019(2) -0.006(2) 0.001(2) -0.001(2)
Ag4 0.0260(2) 0.01451(19) 0.0227(2) -0.00386(15) -0.00420(16) 0.00092(16)
S4 0.0231(7) 0.0187(6) 0.0175(6) -0.0020(5) 0.0022(5) -0.0021(5)
O4 0.024(2) 0.0174(18) 0.0169(18) 0.0008(14) 0.0003(15) -0.0037(15)
N4 0.050(4) 0.037(3) 0.020(3) -0.003(2) -0.002(2) 0.023(3)
C4 0.018(2) 0.019(2) 0.015(2) -0.0033(19) -0.0016(19) 0.000(2)
Ag5 0.0269(3) 0.0168(3) 0.0241(3) -0.0023(2) -0.0022(2) 0.0044(2)
O5 0.032(2) 0.0219(19) 0.0179(19) -0.0042(15) -0.0025(16) 0.0077(17)
N5 0.023(2) 0.024(2) 0.026(3) -0.005(2) 0.000(2) -0.002(2)
C5 0.019(2) 0.019(2) 0.016(2) -0.0040(19) -0.0030(19) 0.002(2)
O6 0.030(2) 0.031(2) 0.0157(19) 0.0009(16) 0.0034(17) 0.0004(18)
N6 0.018(2) 0.014(2) 0.025(2) -0.0045(18) -0.0048(18) -0.0015(17)
C6 0.017(2) 0.012(2) 0.017(2) -0.0006(18) -0.0004(19) -0.0017(19)
O7 0.028(2) 0.029(2) 0.019(2) -0.0030(16) -0.0090(17) 0.0011(18)
N7 0.023(2) 0.018(2) 0.026(2) -0.0075(19) -0.0079(19) 0.0023(18)
C7 0.015(2) 0.018(2) 0.022(3) -0.004(2) 0.000(2) -0.002(2)
O8 0.035(3) 0.062(4) 0.037(3) -0.018(3) -0.019(2) 0.007(3)
N8 0.023(2) 0.019(2) 0.023(2) -0.0057(18) -0.0057(19) 0.0024(18)
C8 0.017(2) 0.012(2) 0.021(3) -0.0012(19) -0.003(2) -0.0037(19)
O9 0.121(6) 0.021(2) 0.050(3) -0.007(2) -0.055(4) -0.007(3)
N9 0.025(2) 0.019(2) 0.024(2) -0.0015(19) -0.009(2) -0.0038(19)
C9 0.018(2) 0.015(2) 0.025(3) -0.002(2) -0.007(2) -0.004(2)
O10 0.048(3) 0.056(3) 0.023(2) -0.012(2) -0.001(2) 0.000(3)
N10 0.024(2) 0.024(2) 0.026(3) -0.009(2) -0.007(2) 0.003(2)
C10 0.027(3) 0.015(2) 0.016(2) -0.0014(19) -0.008(2) -0.006(2)
O11 0.037(3) 0.020(2) 0.038(3) -0.0086(18) 0.003(2) 0.0059(18)
N11 0.026(2) 0.019(2) 0.024(2) -0.0085(19) -0.006(2) -0.0010(19)
C11 0.016(2) 0.017(2) 0.023(3) -0.003(2) -0.001(2) -0.008(2)
O12 0.024(2) 0.034(2) 0.022(2) -0.0112(18) 0.0034(16) -0.0078(18)
N12 0.019(2) 0.017(2) 0.023(2) -0.0044(18) 0.0035(18) -0.0018(17)
C12 0.015(2) 0.015(2) 0.023(3) -0.0028(19) -0.002(2) -0.0033(19)
O13 0.042(3) 0.053(3) 0.027(2) -0.017(2) -0.014(2) 0.005(2)
C13 0.018(2) 0.014(2) 0.014(2) -0.0010(18) -0.0051(19) -0.0039(19)
O14 0.037(3) 0.029(2) 0.047(3) 0.002(2) 0.017(2) 0.003(2)
C14 0.019(3) 0.016(2) 0.023(3) -0.006(2) -0.005(2) -0.001(2)
O15 0.035(3) 0.044(3) 0.034(3) 0.010(2) -0.003(2) 0.002(2)
C15 0.017(2) 0.014(2) 0.024(3) -0.006(2) -0.007(2) 0.0021(19)
O16 0.043(3) 0.034(3) 0.044(3) -0.011(2) -0.003(2) -0.013(2)
C16 0.020(3) 0.018(2) 0.026(3) -0.009(2) -0.002(2) -0.001(2)
O17 0.029(3) 0.047(3) 0.036(3) -0.003(2) -0.002(2) -0.001(2)
C17 0.017(2) 0.017(2) 0.020(3) -0.005(2) -0.004(2) 0.001(2)
O18 0.054(4) 0.058(4) 0.049(4) -0.020(3) 0.003(3) -0.004(3)
C18 0.016(2) 0.016(2) 0.020(2) -0.0047(19) -0.0016(19) 0.0009(19)
O19 0.040(3) 0.030(2) 0.046(3) -0.006(2) -0.014(2) -0.002(2)
C19 0.018(2) 0.016(2) 0.018(2) -0.0051(19) -0.004(2) 0.0034(19)
O20 0.034(2) 0.025(2) 0.034(3) -0.0051(19) -0.002(2) 0.001(2)
C20 0.017(2) 0.015(2) 0.018(2) -0.0058(19) -0.0064(19) 0.0030(19)
O21 0.041(3) 0.066(4) 0.048(3) 0.015(3) -0.007(3) 0.001(3)
C21 0.018(2) 0.016(2) 0.018(2) -0.0008(19) -0.006(2) 0.002(2)
O22 0.056(4) 0.035(3) 0.063(4) -0.006(3) -0.032(3) -0.002(3)
C22 0.020(2) 0.014(2) 0.013(2) -0.0067(18) -0.0058(19) 0.0004(19)
O23 0.074(5) 0.051(4) 0.068(5) -0.013(3) 0.022(4) -0.019(3)
C23 0.017(2) 0.018(2) 0.016(2) -0.0060(19) -0.0038(19) 0.000(2)
O24 0.123(7) 0.034(3) 0.084(5) -0.004(3) -0.078(5) -0.001(4)
C24 0.017(2) 0.020(2) 0.011(2) -0.0062(18) -0.0027(18) -0.0007(19)
C25 0.021(3) 0.013(2) 0.015(2) -0.0034(18) -0.004(2) -0.0008(19)
C26 0.017(2) 0.014(2) 0.016(2) -0.0053(18) -0.0047(19) -0.0003(19)
O26A 0.024(5) 0.060(7) 0.026(5) -0.019(5) -0.004(4) 0.004(4)
C27 0.018(2) 0.015(2) 0.017(2) -0.0043(19) -0.0041(19) -0.0038(19)
O26B 0.062(8) 0.071(9) 0.028(6) -0.013(5) 0.009(5) -0.025(7)
C28 0.017(2) 0.020(2) 0.016(2) -0.0057(19) -0.0031(19) 0.001(2)
C29 0.028(3) 0.032(3) 0.026(3) -0.009(3) 0.002(2) -0.001(3)
C30 0.049(4) 0.044(4) 0.020(3) -0.004(3) -0.002(3) 0.000(3)
C31 0.062(5) 0.032(4) 0.032(4) 0.002(3) -0.012(3) 0.003(3)
C32 0.053(4) 0.022(3) 0.028(3) -0.004(2) -0.007(3) 0.006(3)
C33 0.028(3) 0.019(3) 0.023(3) -0.003(2) -0.005(2) 0.000(2)
C34 0.021(3) 0.017(2) 0.024(3) -0.004(2) -0.005(2) -0.002(2)
C35 0.036(3) 0.013(2) 0.029(3) -0.005(2) -0.006(3) -0.003(2)
C36 0.031(3) 0.023(3) 0.029(3) -0.012(2) -0.006(2) 0.001(2)
C37 0.025(3) 0.030(3) 0.022(3) -0.008(2) -0.004(2) 0.000(2)
C38 0.025(3) 0.019(3) 0.027(3) -0.002(2) -0.011(2) -0.001(2)
C39 0.028(3) 0.030(3) 0.024(3) -0.005(2) -0.010(2) 0.004(2)
C40 0.039(4) 0.054(4) 0.026(3) -0.022(3) -0.013(3) 0.012(3)
C41 0.040(4) 0.040(4) 0.042(4) -0.029(3) -0.014(3) 0.009(3)
C42 0.030(3) 0.026(3) 0.043(4) -0.018(3) -0.012(3) 0.004(3)
C43 0.018(3) 0.020(3) 0.028(3) -0.006(2) -0.006(2) 0.002(2)
C44 0.018(3) 0.015(2) 0.030(3) -0.003(2) -0.004(2) 0.000(2)
C45 0.029(3) 0.016(3) 0.040(4) -0.001(2) -0.002(3) 0.003(2)
C46 0.039(4) 0.022(3) 0.034(4) 0.013(3) -0.002(3) -0.001(3)
C47 0.031(3) 0.034(3) 0.021(3) 0.005(2) -0.001(2) -0.001(3)
C48 0.027(3) 0.026(3) 0.028(3) -0.008(2) -0.004(2) -0.003(2)
C49 0.035(3) 0.024(3) 0.026(3) -0.002(2) -0.012(3) -0.006(2)
C50 0.069(5) 0.033(4) 0.030(4) 0.008(3) -0.028(4) -0.017(4)
C51 0.075(6) 0.026(3) 0.057(5) 0.007(3) -0.043(5) -0.011(4)
C52 0.047(4) 0.016(3) 0.054(4) -0.003(3) -0.030(4) 0.002(3)
C53 0.024(3) 0.015(2) 0.036(3) -0.005(2) -0.013(2) -0.004(2)
C54 0.023(3) 0.020(3) 0.040(3) -0.016(2) -0.014(3) 0.006(2)
C55 0.037(4) 0.020(3) 0.062(5) -0.024(3) -0.024(3) 0.007(3)
C56 0.039(4) 0.052(4) 0.053(5) -0.036(4) -0.021(3) 0.013(3)
C57 0.026(3) 0.062(5) 0.036(4) -0.027(4) -0.010(3) 0.011(3)
C58 0.027(3) 0.038(3) 0.024(3) -0.008(3) -0.004(2) 0.007(3)
C59 0.035(3) 0.029(3) 0.019(3) -0.007(2) -0.007(2) -0.001(3)
C60 0.027(3) 0.045(4) 0.032(3) -0.021(3) -0.009(3) 0.001(3)
C61 0.030(3) 0.048(4) 0.052(4) -0.038(4) 0.001(3) -0.006(3)
C62 0.027(3) 0.025(3) 0.048(4) -0.021(3) 0.008(3) -0.008(2)
C63 0.017(2) 0.022(3) 0.026(3) -0.010(2) -0.002(2) -0.001(2)
C64 0.017(2) 0.017(2) 0.024(3) -0.003(2) 0.004(2) -0.004(2)
C65 0.031(3) 0.016(3) 0.039(4) 0.002(2) 0.004(3) 0.000(2)
C66 0.036(4) 0.028(3) 0.034(4) 0.011(3) 0.004(3) 0.002(3)
C67 0.032(3) 0.040(4) 0.024(3) 0.007(3) 0.007(3) -0.006(3)
C68 0.027(3) 0.022(3) 0.022(3) -0.003(2) 0.001(2) -0.001(2)
C69 0.031(4) 0.052(4) 0.040(4) -0.024(3) -0.008(3) 0.016(3)
C70 0.039(4) 0.081(7) 0.049(5) -0.031(5) -0.011(4) 0.023(4)
C71 0.065(6) 0.093(8) 0.033(4) -0.021(5) -0.020(4) 0.026(6)
C72 0.050(5) 0.091(7) 0.029(4) -0.021(4) -0.015(4) 0.023(5)
C73 0.046(4) 0.057(5) 0.019(3) -0.015(3) -0.007(3) 0.029(4)
C74 0.043(4) 0.045(4) 0.020(3) -0.002(3) 0.000(3) 0.020(3)
C75 0.054(5) 0.064(6) 0.035(4) 0.003(4) -0.006(4) 0.028(5)
C76 0.069(6) 0.037(4) 0.048(5) 0.008(4) 0.009(4) 0.011(4)
C77 0.056(5) 0.036(4) 0.059(6) -0.001(4) 0.011(4) 0.012(4)
C78 0.042(4) 0.034(4) 0.037(4) -0.010(3) 0.001(3) 0.012(3)
C79 0.028(3) 0.029(3) 0.022(3) -0.010(2) -0.009(2) 0.000(2)
C80 0.035(3) 0.032(3) 0.028(3) -0.005(3) -0.017(3) 0.001(3)
C81 0.049(4) 0.024(3) 0.042(4) 0.003(3) -0.023(3) 0.003(3)
C82 0.044(4) 0.021(3) 0.032(3) -0.001(2) -0.014(3) -0.004(3)
C83 0.022(3) 0.019(2) 0.017(2) -0.004(2) -0.003(2) -0.002(2)
C84 0.024(3) 0.019(2) 0.021(3) -0.008(2) -0.002(2) -0.002(2)
C85 0.033(3) 0.027(3) 0.021(3) 0.001(2) -0.001(2) -0.015(3)
C86 0.039(4) 0.033(3) 0.027(3) -0.006(3) -0.003(3) -0.019(3)
C87 0.036(3) 0.034(3) 0.021(3) -0.009(2) -0.010(2) -0.013(3)
C88 0.029(3) 0.025(3) 0.020(3) -0.007(2) -0.003(2) -0.008(2)
O25A 0.053(7) 0.049(7) 0.036(6) -0.011(5) -0.019(5) 0.003(5)
O25B 0.076(10) 0.078(10) 0.031(6) -0.008(6) -0.010(6) 0.033(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.170(5) 2_656 ?
Ag1 N1 2.170(5) . ?
Ag1 Ag2 2.9457(5) . ?
Ag1 Ag2 2.9457(5) 2_656 ?
S1 O6 1.448(4) . ?
S1 O7 1.450(4) . ?
S1 O5 1.468(4) . ?
S1 C4 1.763(6) . ?
O1 C1 1.375(6) . ?
N1 C84 1.340(7) . ?
N1 C88 1.361(7) . ?
C1 C6 1.401(8) . ?
C1 C2 1.408(7) . ?
Ag2 N2 2.311(5) . ?
Ag2 N4 2.314(6) . ?
Ag2 N3 2.339(6) . ?
Ag2 O5 2.412(4) . ?
S2 O9 1.442(5) . ?
S2 O10 1.444(6) . ?
S2 O8 1.458(6) . ?
S2 C10 1.773(6) . ?
O2 C13 1.377(6) . ?
O2 H2 0.8475 . ?
N2 C79 1.349(7) . ?
N2 C83 1.350(7) . ?
C2 C3 1.385(8) . ?
C2 C28 1.533(7) . ?
Ag3 N7 2.202(5) . ?
Ag3 N6 2.222(5) . ?
Ag3 N5 2.447(5) . ?
Ag3 Ag4 2.9512(8) . ?
Ag3 Ag3 3.1986(9) 2_557 ?
S3 O13 1.449(5) . ?
S3 O11 1.452(5) . ?
S3 O12 1.458(4) . ?
S3 C17 1.762(6) . ?
O3 C20 1.387(6) . ?
N3 C69 1.320(11) . ?
N3 C73 1.375(10) . ?
C3 C4 1.391(8) . ?
C3 H3 0.9500 . ?
Ag4 N8 2.285(5) . ?
Ag4 N9 2.291(5) . ?
Ag4 N10 2.399(5) . ?
Ag4 N11 2.438(5) . ?
Ag4 Ag5 2.9633(6) . ?
S4 O14 1.425(5) . ?
S4 O16 1.447(5) . ?
S4 O15 1.464(5) . ?
S4 C24 1.774(5) . ?
O4 C27 1.387(6) . ?
N4 C78 1.346(11) . ?
N4 C74 1.346(10) . ?
C4 C5 1.385(7) . ?
Ag5 N12 2.235(5) . ?
Ag5 N12 2.235(5) 2_457 ?
Ag5 Ag4 2.9633(6) 2_457 ?
N5 C29 1.330(8) . ?
N5 C33 1.337(8) . ?
C5 C6 1.408(7) . ?
C5 H5 0.9500 . ?
N6 C38 1.338(8) . ?
N6 C34 1.346(7) . ?
C6 C7 1.534(7) . ?
N7 C43 1.343(8) . ?
N7 C39 1.347(8) . ?
C7 C8 1.506(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
N8 C48 1.337(8) . ?
N8 C44 1.366(7) . ?
C8 C9 1.398(8) . ?
C8 C13 1.404(7) . ?
N9 C49 1.330(8) . ?
N9 C53 1.374(8) . ?
C9 C10 1.390(8) . ?
C9 H9 0.9500 . ?
N10 C58 1.341(8) . ?
N10 C54 1.360(8) . ?
C10 C11 1.394(8) . ?
N11 C59 1.351(8) . ?
N11 C63 1.354(8) . ?
C11 C12 1.392(8) . ?
C11 H11 0.9500 . ?
N12 C68 1.347(8) . ?
N12 C64 1.351(7) . ?
C12 C13 1.405(8) . ?
C12 C14 1.516(7) . ?
C14 C15 1.511(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.385(8) . ?
C15 C20 1.405(7) . ?
C16 C17 1.398(8) . ?
C16 H16 0.9500 . ?
O17 H17A 0.8330 . ?
O17 H17B 0.8575 . ?
C17 C18 1.387(7) . ?
C18 C19 1.410(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.400(8) . ?
C19 C21 1.521(7) . ?
O20 H20A 0.8884 . ?
O20 H20B 0.8254 . ?
C21 C22 1.521(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C27 1.390(8) . ?
C22 C23 1.397(7) . ?
C23 C24 1.388(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(8) . ?
C25 C26 1.386(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.404(7) . ?
C26 C28 1.519(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.399(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.373(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.391(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.491(8) . ?
C34 C35 1.407(8) . ?
C35 C36 1.380(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.382(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.390(8) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.385(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.353(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.393(11) . ?
C41 H41 0.9500 . ?
C42 C43 1.396(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.483(8) . ?
C44 C45 1.382(8) . ?
C45 C46 1.397(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.380(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.375(9) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.376(9) . ?
C49 H49 0.9500 . ?
C50 C51 1.385(13) . ?
C50 H50 0.9500 . ?
C51 C52 1.398(13) . ?
C51 H51 0.9500 . ?
C52 C53 1.388(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.477(9) . ?
C54 C55 1.400(8) . ?
C55 C56 1.385(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.390(12) . ?
C56 H56 0.9500 . ?
C57 C58 1.382(10) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.374(9) . ?
C59 H59 0.9500 . ?
C60 C61 1.364(11) . ?
C60 H60 0.9500 . ?
C61 C62 1.389(11) . ?
C61 H61 0.9500 . ?
C62 C63 1.384(8) . ?
C62 H62 0.9500 . ?
C63 C64 1.475(8) . ?
C64 C65 1.399(8) . ?
C65 C66 1.370(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.404(11) . ?
C66 H66 0.9500 . ?
C67 C68 1.381(9) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.399(11) . ?
C69 H69 0.9500 . ?
C70 C71 1.379(15) . ?
C70 H70 0.9500 . ?
C71 C72 1.372(16) . ?
C71 H71 0.9500 . ?
C72 C73 1.411(11) . ?
C72 H72 0.9500 . ?
C73 C74 1.464(13) . ?
C74 C75 1.422(11) . ?
C75 C76 1.384(15) . ?
C75 H75 0.9500 . ?
C76 C77 1.335(15) . ?
C76 H76 0.9500 . ?
C77 C78 1.399(11) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C80 1.387(9) . ?
C79 H79 0.9500 . ?
C80 C81 1.383(10) . ?
C80 H80 0.9500 . ?
C81 C82 1.378(10) . ?
C81 H81 0.9500 . ?
C82 C83 1.382(8) . ?
C82 H82 0.9500 . ?
C83 C84 1.494(8) . ?
C84 C85 1.396(8) . ?
C85 C86 1.376(9) . ?
C85 H85 0.9500 . ?
C86 C87 1.373(9) . ?
C86 H86 0.9500 . ?
C87 C88 1.373(8) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 180.0(3) 2_656 . ?
N1 Ag1 Ag2 100.35(12) 2_656 . ?
N1 Ag1 Ag2 79.65(12) . . ?
N1 Ag1 Ag2 79.65(12) 2_656 2_656 ?
N1 Ag1 Ag2 100.35(12) . 2_656 ?
Ag2 Ag1 Ag2 180.000(13) . 2_656 ?
O6 S1 O7 113.6(3) . . ?
O6 S1 O5 112.1(3) . . ?
O7 S1 O5 111.8(3) . . ?
O6 S1 C4 107.5(3) . . ?
O7 S1 C4 106.9(3) . . ?
O5 S1 C4 104.2(2) . . ?
C84 N1 C88 119.4(5) . . ?
C84 N1 Ag1 123.2(4) . . ?
C88 N1 Ag1 117.4(3) . . ?
O1 C1 C6 118.5(5) . . ?
O1 C1 C2 119.0(5) . . ?
C6 C1 C2 122.4(5) . . ?
N2 Ag2 N4 137.1(2) . . ?
N2 Ag2 N3 122.33(19) . . ?
N4 Ag2 N3 72.2(2) . . ?
N2 Ag2 O5 83.94(15) . . ?
N4 Ag2 O5 131.38(17) . . ?
N3 Ag2 O5 111.70(18) . . ?
N2 Ag2 Ag1 62.28(12) . . ?
N4 Ag2 Ag1 79.04(14) . . ?
N3 Ag2 Ag1 89.81(13) . . ?
O5 Ag2 Ag1 146.15(10) . . ?
O9 S2 O10 112.8(4) . . ?
O9 S2 O8 114.6(4) . . ?
O10 S2 O8 110.7(3) . . ?
O9 S2 C10 106.2(3) . . ?
O10 S2 C10 106.3(3) . . ?
O8 S2 C10 105.5(3) . . ?
C13 O2 H2 106.9 . . ?
C79 N2 C83 117.7(5) . . ?
C79 N2 Ag2 112.6(4) . . ?
C83 N2 Ag2 123.6(4) . . ?
C3 C2 C1 117.9(5) . . ?
C3 C2 C28 120.0(5) . . ?
C1 C2 C28 122.1(5) . . ?
N7 Ag3 N6 163.44(19) . . ?
N7 Ag3 N5 118.27(19) . . ?
N6 Ag3 N5 72.38(18) . . ?
N7 Ag3 Ag4 75.35(13) . . ?
N6 Ag3 Ag4 88.44(12) . . ?
N5 Ag3 Ag4 118.62(12) . . ?
N7 Ag3 Ag3 123.29(13) . 2_557 ?
N6 Ag3 Ag3 66.32(12) . 2_557 ?
N5 Ag3 Ag3 90.53(13) . 2_557 ?
Ag4 Ag3 Ag3 134.17(3) . 2_557 ?
O13 S3 O11 113.5(3) . . ?
O13 S3 O12 112.3(3) . . ?
O11 S3 O12 113.2(3) . . ?
O13 S3 C17 105.7(3) . . ?
O11 S3 C17 105.2(3) . . ?
O12 S3 C17 106.0(3) . . ?
C69 N3 C73 119.5(7) . . ?
C69 N3 Ag2 125.3(5) . . ?
C73 N3 Ag2 113.6(5) . . ?
C2 C3 C4 121.2(5) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
N8 Ag4 N9 144.69(18) . . ?
N8 Ag4 N10 113.08(17) . . ?
N9 Ag4 N10 72.70(18) . . ?
N8 Ag4 N11 95.24(17) . . ?
N9 Ag4 N11 107.87(17) . . ?
N10 Ag4 N11 128.61(17) . . ?
N8 Ag4 Ag3 67.91(13) . . ?
N9 Ag4 Ag3 77.27(13) . . ?
N10 Ag4 Ag3 109.40(12) . . ?
N11 Ag4 Ag3 121.01(12) . . ?
N8 Ag4 Ag5 127.63(13) . . ?
N9 Ag4 Ag5 87.60(13) . . ?
N10 Ag4 Ag5 70.94(12) . . ?
N11 Ag4 Ag5 57.93(12) . . ?
Ag3 Ag4 Ag5 163.720(19) . . ?
O14 S4 O16 115.1(4) . . ?
O14 S4 O15 112.8(3) . . ?
O16 S4 O15 111.0(3) . . ?
O14 S4 C24 106.9(3) . . ?
O16 S4 C24 105.2(3) . . ?
O15 S4 C24 104.9(3) . . ?
C78 N4 C74 119.5(7) . . ?
C78 N4 Ag2 123.7(5) . . ?
C74 N4 Ag2 116.7(6) . . ?
C5 C4 C3 120.0(5) . . ?
C5 C4 S1 120.8(4) . . ?
C3 C4 S1 119.1(4) . . ?
N12 Ag5 N12 180.0(2) . 2_457 ?
N12 Ag5 Ag4 74.33(12) . . ?
N12 Ag5 Ag4 105.67(12) 2_457 . ?
N12 Ag5 Ag4 105.67(12) . 2_457 ?
N12 Ag5 Ag4 74.33(12) 2_457 2_457 ?
Ag4 Ag5 Ag4 180.0 . 2_457 ?
S1 O5 Ag2 122.0(2) . . ?
C29 N5 C33 118.9(6) . . ?
C29 N5 Ag3 126.6(4) . . ?
C33 N5 Ag3 109.0(4) . . ?
C4 C5 C6 121.1(5) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C38 N6 C34 119.1(5) . . ?
C38 N6 Ag3 123.1(4) . . ?
C34 N6 Ag3 117.8(4) . . ?
C1 C6 C5 117.2(5) . . ?
C1 C6 C7 122.6(5) . . ?
C5 C6 C7 120.1(5) . . ?
C43 N7 C39 118.7(5) . . ?
C43 N7 Ag3 125.2(4) . . ?
C39 N7 Ag3 115.9(4) . . ?
C8 C7 C6 112.8(4) . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C48 N8 C44 117.6(5) . . ?
C48 N8 Ag4 115.7(4) . . ?
C44 N8 Ag4 123.4(4) . . ?
C9 C8 C13 117.3(5) . . ?
C9 C8 C7 120.9(5) . . ?
C13 C8 C7 121.8(5) . . ?
C49 N9 C53 118.8(5) . . ?
C49 N9 Ag4 123.7(4) . . ?
C53 N9 Ag4 116.1(4) . . ?
C10 C9 C8 121.1(5) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C58 N10 C54 118.0(5) . . ?
C58 N10 Ag4 125.4(4) . . ?
C54 N10 Ag4 112.3(4) . . ?
C9 C10 C11 120.1(5) . . ?
C9 C10 S2 121.5(4) . . ?
C11 C10 S2 118.3(4) . . ?
C59 N11 C63 117.6(5) . . ?
C59 N11 Ag4 116.7(4) . . ?
C63 N11 Ag4 119.2(4) . . ?
C12 C11 C10 121.0(5) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C68 N12 C64 118.1(5) . . ?
C68 N12 Ag5 122.3(4) . . ?
C64 N12 Ag5 119.6(4) . . ?
C11 C12 C13 117.5(5) . . ?
C11 C12 C14 120.9(5) . . ?
C13 C12 C14 121.5(5) . . ?
O2 C13 C8 118.7(5) . . ?
O2 C13 C12 118.3(5) . . ?
C8 C13 C12 122.9(5) . . ?
C15 C14 C12 112.6(4) . . ?
C15 C14 H14A 109.1 . . ?
C12 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C12 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C20 117.3(5) . . ?
C16 C15 C14 120.7(5) . . ?
C20 C15 C14 122.0(5) . . ?
C15 C16 C17 121.5(5) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
H17A O17 H17B 112.3 . . ?
C18 C17 C16 120.2(5) . . ?
C18 C17 S3 122.2(4) . . ?
C16 C17 S3 117.5(4) . . ?
C17 C18 C19 120.4(5) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 117.6(5) . . ?
C20 C19 C21 122.1(5) . . ?
C18 C19 C21 120.3(5) . . ?
H20A O20 H20B 109.9 . . ?
O3 C20 C19 118.4(4) . . ?
O3 C20 C15 118.6(5) . . ?
C19 C20 C15 123.0(5) . . ?
C19 C21 C22 113.8(4) . . ?
C19 C21 H21A 108.8 . . ?
C22 C21 H21A 108.8 . . ?
C19 C21 H21B 108.8 . . ?
C22 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C27 C22 C23 117.3(5) . . ?
C27 C22 C21 122.7(5) . . ?
C23 C22 C21 119.9(5) . . ?
C24 C23 C22 120.4(5) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 121.2(5) . . ?
C25 C24 S4 117.7(4) . . ?
C23 C24 S4 120.9(4) . . ?
C24 C25 C26 119.8(5) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C27 118.1(5) . . ?
C25 C26 C28 120.4(5) . . ?
C27 C26 C28 121.5(5) . . ?
O4 C27 C22 119.0(5) . . ?
O4 C27 C26 117.9(5) . . ?
C22 C27 C26 123.0(5) . . ?
C26 C28 C2 113.4(4) . . ?
C26 C28 H28A 108.9 . . ?
C2 C28 H28A 108.9 . . ?
C26 C28 H28B 108.9 . . ?
C2 C28 H28B 108.9 . . ?
H28A C28 H28B 107.7 . . ?
N5 C29 C30 123.2(6) . . ?
N5 C29 H29 118.4 . . ?
C30 C29 H29 118.4 . . ?
C31 C30 C29 117.6(6) . . ?
C31 C30 H30 121.2 . . ?
C29 C30 H30 121.2 . . ?
C30 C31 C32 119.6(7) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C31 C32 C33 119.2(6) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
N5 C33 C32 121.4(6) . . ?
N5 C33 C34 117.2(5) . . ?
C32 C33 C34 121.3(6) . . ?
N6 C34 C35 120.5(5) . . ?
N6 C34 C33 117.9(5) . . ?
C35 C34 C33 121.6(5) . . ?
C36 C35 C34 119.4(5) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 120.1(6) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C38 117.3(6) . . ?
C36 C37 H37 121.3 . . ?
C38 C37 H37 121.3 . . ?
N6 C38 C37 123.6(5) . . ?
N6 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?
N7 C39 C40 122.3(6) . . ?
N7 C39 H39 118.8 . . ?
C40 C39 H39 118.8 . . ?
C41 C40 C39 119.0(7) . . ?
C41 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
C40 C41 C42 120.0(6) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C43 118.4(6) . . ?
C41 C42 H42 120.8 . . ?
C43 C42 H42 120.8 . . ?
N7 C43 C42 121.6(6) . . ?
N7 C43 C44 119.4(5) . . ?
C42 C43 C44 119.0(6) . . ?
N8 C44 C45 121.5(6) . . ?
N8 C44 C43 118.0(5) . . ?
C45 C44 C43 120.5(5) . . ?
C44 C45 C46 119.7(6) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C47 C46 C45 118.4(6) . . ?
C47 C46 H46 120.8 . . ?
C45 C46 H46 120.8 . . ?
C48 C47 C46 118.8(6) . . ?
C48 C47 H47 120.6 . . ?
C46 C47 H47 120.6 . . ?
N8 C48 C47 124.0(6) . . ?
N8 C48 H48 118.0 . . ?
C47 C48 H48 118.0 . . ?
N9 C49 C50 123.4(7) . . ?
N9 C49 H49 118.3 . . ?
C50 C49 H49 118.3 . . ?
C49 C50 C51 118.6(7) . . ?
C49 C50 H50 120.7 . . ?
C51 C50 H50 120.7 . . ?
C50 C51 C52 119.4(7) . . ?
C50 C51 H51 120.3 . . ?
C52 C51 H51 120.3 . . ?
C53 C52 C51 119.0(7) . . ?
C53 C52 H52 120.5 . . ?
C51 C52 H52 120.5 . . ?
N9 C53 C52 120.9(6) . . ?
N9 C53 C54 117.3(5) . . ?
C52 C53 C54 121.9(6) . . ?
N10 C54 C55 121.5(6) . . ?
N10 C54 C53 117.4(5) . . ?
C55 C54 C53 121.1(6) . . ?
C56 C55 C54 119.5(7) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C55 C56 C57 118.8(6) . . ?
C55 C56 H56 120.6 . . ?
C57 C56 H56 120.6 . . ?
C58 C57 C56 118.7(7) . . ?
C58 C57 H57 120.7 . . ?
C56 C57 H57 120.7 . . ?
N10 C58 C57 123.6(7) . . ?
N10 C58 H58 118.2 . . ?
C57 C58 H58 118.2 . . ?
N11 C59 C60 122.9(6) . . ?
N11 C59 H59 118.6 . . ?
C60 C59 H59 118.6 . . ?
C61 C60 C59 119.3(7) . . ?
C61 C60 H60 120.3 . . ?
C59 C60 H60 120.3 . . ?
C60 C61 C62 119.1(6) . . ?
C60 C61 H61 120.4 . . ?
C62 C61 H61 120.4 . . ?
C63 C62 C61 119.1(6) . . ?
C63 C62 H62 120.5 . . ?
C61 C62 H62 120.5 . . ?
N11 C63 C62 122.0(6) . . ?
N11 C63 C64 115.8(5) . . ?
C62 C63 C64 122.2(6) . . ?
N12 C64 C65 122.3(6) . . ?
N12 C64 C63 117.2(5) . . ?
C65 C64 C63 120.4(5) . . ?
C66 C65 C64 119.1(6) . . ?
C66 C65 H65 120.4 . . ?
C64 C65 H65 120.4 . . ?
C65 C66 C67 118.9(6) . . ?
C65 C66 H66 120.6 . . ?
C67 C66 H66 120.6 . . ?
C68 C67 C66 118.9(6) . . ?
C68 C67 H67 120.5 . . ?
C66 C67 H67 120.5 . . ?
N12 C68 C67 122.7(6) . . ?
N12 C68 H68 118.7 . . ?
C67 C68 H68 118.7 . . ?
N3 C69 C70 124.4(9) . . ?
N3 C69 H69 117.8 . . ?
C70 C69 H69 117.8 . . ?
C71 C70 C69 115.7(10) . . ?
C71 C70 H70 122.2 . . ?
C69 C70 H70 122.2 . . ?
C72 C71 C70 121.9(9) . . ?
C72 C71 H71 119.1 . . ?
C70 C71 H71 119.1 . . ?
C71 C72 C73 119.1(9) . . ?
C71 C72 H72 120.5 . . ?
C73 C72 H72 120.5 . . ?
N3 C73 C72 119.2(9) . . ?
N3 C73 C74 118.0(6) . . ?
C72 C73 C74 122.7(8) . . ?
N4 C74 C75 119.7(8) . . ?
N4 C74 C73 117.4(6) . . ?
C75 C74 C73 122.9(8) . . ?
C76 C75 C74 119.0(8) . . ?
C76 C75 H75 120.5 . . ?
C74 C75 H75 120.5 . . ?
C77 C76 C75 120.7(8) . . ?
C77 C76 H76 119.6 . . ?
C75 C76 H76 119.6 . . ?
C76 C77 C78 118.8(10) . . ?
C76 C77 H77 120.6 . . ?
C78 C77 H77 120.6 . . ?
N4 C78 C77 122.2(8) . . ?
N4 C78 H78 118.9 . . ?
C77 C78 H78 118.9 . . ?
N2 C79 C80 122.9(6) . . ?
N2 C79 H79 118.5 . . ?
C80 C79 H79 118.5 . . ?
C81 C80 C79 118.4(6) . . ?
C81 C80 H80 120.8 . . ?
C79 C80 H80 120.8 . . ?
C82 C81 C80 119.2(6) . . ?
C82 C81 H81 120.4 . . ?
C80 C81 H81 120.4 . . ?
C81 C82 C83 119.4(6) . . ?
C81 C82 H82 120.3 . . ?
C83 C82 H82 120.3 . . ?
N2 C83 C82 122.3(5) . . ?
N2 C83 C84 116.7(5) . . ?
C82 C83 C84 121.0(5) . . ?
N1 C84 C85 120.9(5) . . ?
N1 C84 C83 118.3(5) . . ?
C85 C84 C83 120.7(5) . . ?
C86 C85 C84 118.9(6) . . ?
C86 C85 H85 120.5 . . ?
C84 C85 H85 120.5 . . ?
C85 C86 C87 120.2(6) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C88 C87 C86 118.7(6) . . ?
C88 C87 H87 120.6 . . ?
C86 C87 H87 120.6 . . ?
N1 C88 C87 121.8(5) . . ?
N1 C88 H88 119.1 . . ?
C87 C88 H88 119.1 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.819
_refine_diff_density_min         -1.669
_refine_diff_density_rms         0.252